검색결과 : 12건
| No. | Article |
|---|---|
| 1 |
Surfactant Charge Modulates Structure and Stability of Lipase-Embedded Monolayers at Marine-Relevant Aerosol Surfaces Luo M, Dommer AC, Schiffer JM, Rez DJ, Mitchell AR, Amaro RE, Grassian VH Langmuir, 35(27), 9050, 2019 |
| 2 |
Biography of Klaus Schulten Amaro RE, Villa E, Luthey-Schulten Z Journal of Physical Chemistry B, 121(15), 3206, 2017 |
| 3 |
SEEKR: Simulation Enabled Estimation of Kinetic Rates, A Computational Tool to Estimate Molecular Kinetics and Its Application to Trypsin-Benzamidine Binding Votapka LW, Jagger BR, Heyneman AL, Amaro RE Journal of Physical Chemistry B, 121(15), 3597, 2017 |
| 4 |
Emerging Computational Methods for the Rational Discovery of Allosteric Drugs Wagner JR, Lee CT, Durrant JD, Malmstrom RD, Feher VA, Amaro RE Chemical Reviews, 116(11), 6370, 2016 |
| 5 |
Tribute to J. Andrew McCammon Amaro RE, Madura JD, Wong CF Journal of Physical Chemistry B, 120(33), 8055, 2016 |
| 6 |
Microsecond Molecular Dynamics Simulations of Influenza Neuraminidase Suggest a Mechanism for the Increased Virulence of Stalk-Deletion Mutants Durrant JD, Bush RM, Amaro RE Journal of Physical Chemistry B, 120(33), 8590, 2016 |
| 7 |
Two Relations to Estimate Membrane Permeability Using Milestoning Votapka LW, Lee CT, Amaro RE Journal of Physical Chemistry B, 120(33), 8606, 2016 |
| 8 |
Role of Secondary Sialic Acid Binding Sites in Influenza N1 Neuraminidase Sung JC, Van Wynsberghe AW, Amaro RE, Li WW, McCammon JA Journal of the American Chemical Society, 132(9), 2883, 2010 |
| 9 |
Characterizing Loop Dynamics and Ligand Recognition in Human- and Avian-Type Influenza Neuraminidases via Generalized Born Molecular Dynamics and End-Point Free Energy Calculations Amaro RE, Cheng XL, Ivanov I, Xu D, McCammon JA Journal of the American Chemical Society, 131(13), 4702, 2009 |
| 10 |
Mechanism of Glycan Receptor Recognition and Specificity Switch for Avian, Swine, and Human Adapted Influenza Virus Hemagglutinins: A Molecular Dynamics Perspective Newhouse EI, Xu D, Markwick PRL, Amaro RE, Pao HC, Wu KJ, Alam M, McCammon JA, Li WW Journal of the American Chemical Society, 131(47), 17430, 2009 |